5-Formyl-4-(2-ethoxycarbonylethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester

HCID 11022333

기본 정보

표준 SMILES
CCOC(=O)CCc1c(C=O)[nH]c(C(=O)OCC)c1C
InChIKey
DGNAMAJMOPQABP-UHFFFAOYSA-N
분자식
C14H19NO5
평균 분자량
281.3 g/mol

이름 및 식별자

우선 이름
5-Formyl-4-(2-ethoxycarbonylethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
IUPAC
ethyl 4-(3-ethoxy-3-oxopropyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylate

이름 및 동의어

SCHEMBL6405130DGNAMAJMOPQABP-UHFFFAOYSA-NDB-208914ethyl 5-(ethoxycarbonyl)-2-formyl-4-methyl-1h-pyrrole-3-propanoateEthyl4-(3-ethoxy-3-oxopropyl)-5-formyl-3-methyl-1h-pyrrole-2-carboxylate5-Formyl-4-(2-ethoxycarbonyl-ethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester5-Formyl-4-(2-ethoxycarbonyl-ethyl)-3-methyl-1H-pyrrole-2-carboxylic acid-ethyl ester5-Formyl-4-(2-ethoxycarbonylethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester4949-56-8

데이터베이스 식별자

PubChem CID
11022333
Nikkaji
J1.149.567B

물성

구조 계산 물성

XLogP
1.9
극성 표면적
85.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
20

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